2-[(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,3-benzoxazole

Systemtic Name: 2-[(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,3-benzoxazole Openeye Name: 2-[[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,3-benzoxazole CAS Name: 2-[[4-(2-naphthalenylsulfonyl)-1-piperazin-1-iumyl]methyl]-1,3-benzoxazole IUPAC Name: 2-[(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,3-benzoxazole Traditional Name: 2-[[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,3-benzoxazole Formula: C22H22N3O3S+ MolecularWeight: 408.49338

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3O2)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3O2)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C22H21N3O3S/c26-29(27,19-10-9-17-5-1-2-6-18(17)15-19)25-13-11-24(12-14-25)16-22-23-20-7-3-4-8-21(20)28-22/h1-10,15H,11-14,16H2/p+1